Remove incompatible entries from artifact (#6)

Author: mfherbst

Artifacts.toml

@@ -31,39 +31,6 @@ lazy = true
     sha256 = "840a5f654e841ef8b42a5867c27d181996998535a118b7ccbfe355101352a5b7"
     url = "https://github.com/JuliaMolSim/PseudoLibrary/raw/main/artifacts/pd_nc_sr_lda_standard_0.4.1_psp8.tar.gz"
 
-["gbrv_pbesol_1.5_upf"]
-extension = "upf"
-functional = "pbesol"
-version = "1.5"
-git-tree-sha1 = "dfe2e8e27f88e14535ab9455b1dce0cfde94ebea"
-lazy = true
-
-    [["gbrv_pbesol_1.5_upf".download]]
-    sha256 = "bf97d149ad6862b6c0af4badfd35867c1ec821d37423f929f536b1b1ae64a034"
-    url = "https://github.com/JuliaMolSim/PseudoLibrary/raw/main/artifacts/gbrv_pbesol_1.5_upf.tar.gz"
-
-["sssp_pbe_precision_1.1.2_upf"]
-extension = "upf"
-functional = "pbe"
-version = "1.1.2"
-git-tree-sha1 = "b42c34f7ed478236f383ffacd06953609b1ab4bc"
-lazy = true
-
-    [["sssp_pbe_precision_1.1.2_upf".download]]
-    sha256 = "6df57e936220fff56383545595664866d93bec0242494d8d3ac3f422b3f21794"
-    url = "https://github.com/JuliaMolSim/PseudoLibrary/raw/main/artifacts/sssp_pbe_precision_1.1.2_upf.tar.gz"
-
-["sssp_pbesol_efficiency_1.1.2_upf"]
-extension = "upf"
-functional = "pbesol"
-version = "1.1.2"
-git-tree-sha1 = "5071f07d450f1008a632046cd1823f90a6307fba"
-lazy = true
-
-    [["sssp_pbesol_efficiency_1.1.2_upf".download]]
-    sha256 = "b09fd8b299270ccd296a8c98f55c26b463dcb491819fdf2ea6ba65e38d0f7bca"
-    url = "https://github.com/JuliaMolSim/PseudoLibrary/raw/main/artifacts/sssp_pbesol_efficiency_1.1.2_upf.tar.gz"
-
 ["pd_nc_sr_lda_stringent_0.4.1_upf"]
 extension = "upf"
 functional = "lda"
@@ -86,17 +53,6 @@ lazy = true
     sha256 = "7b56901e5a68adf9de79a00cd192904585bb8985f10fc70c3ee9c0c27dbf9467"
     url = "https://github.com/JuliaMolSim/PseudoLibrary/raw/main/artifacts/pd_nc_fr_pbe_standard_0.4_psp8.tar.gz"
 
-[hgh_pbe_hgh]
-extension = "hgh"
-functional = "pbe"
-version = "0.0"
-git-tree-sha1 = "be1b7c68c0d444fb29c3560ab3272eb0c3498534"
-lazy = true
-
-    [[hgh_pbe_hgh.download]]
-    sha256 = "fdffdff49856d7eb200b302fbca8c10f7a805097e9d67c799ffee8e931e3a28e"
-    url = "https://github.com/JuliaMolSim/PseudoLibrary/raw/main/artifacts/hgh_pbe_hgh.tar.gz"
-
 ["pd_paw_pbe_standard_1.1_xml"]
 extension = "xml"
 functional = "pbe"
@@ -119,17 +75,6 @@ lazy = true
     sha256 = "eb7e7845711fe280cc0a5ebfb18c7cbb3c014bdc1ceab1897fd10c41c916775c"
     url = "https://github.com/JuliaMolSim/PseudoLibrary/raw/main/artifacts/pd_nc_sr_pbe_stringent_0.4.1_psp8.tar.gz"
 
-["sg15_2022.02.06_upf"]
-extension = "upf"
-functional = ""
-version = "0.0"
-git-tree-sha1 = "afe295f4adcdd3a7550c3056007bbef516e7eb60"
-lazy = true
-
-    [["sg15_2022.02.06_upf".download]]
-    sha256 = "d6a02fa6d8f0e8f3de01be1b32582186738c8bf7fcd675e1d7d71c38ea2df691"
-    url = "https://github.com/JuliaMolSim/PseudoLibrary/raw/main/artifacts/sg15_2022.02.06_upf.tar.gz"
-
 ["pd_nc_sr_lda_standard_0.4.1_upf"]
 extension = "upf"
 functional = "lda"
@@ -141,39 +86,6 @@ lazy = true
     sha256 = "7606cfa6d1cfab22ff584c548d13fc37872ec648c5c4f6636ee7b1221277128a"
     url = "https://github.com/JuliaMolSim/PseudoLibrary/raw/main/artifacts/pd_nc_sr_lda_standard_0.4.1_upf.tar.gz"
 
-["sssp_pbesol_precision_1.1.2_upf"]
-extension = "upf"
-functional = "pbesol"
-version = "1.1.2"
-git-tree-sha1 = "7cca5f2d8369600b0738de9b377c62285f5146d8"
-lazy = true
-
-    [["sssp_pbesol_precision_1.1.2_upf".download]]
-    sha256 = "6b686c0044e226fcbfa881c8905ad27c5d54fef30a5670bcedba6c3961c00bd8"
-    url = "https://github.com/JuliaMolSim/PseudoLibrary/raw/main/artifacts/sssp_pbesol_precision_1.1.2_upf.tar.gz"
-
-["gbrv_lda_1.5_upf"]
-extension = "upf"
-functional = "lda"
-version = "1.5"
-git-tree-sha1 = "97c792c8282018a41bbc2dd44fde9420109e3021"
-lazy = true
-
-    [["gbrv_lda_1.5_upf".download]]
-    sha256 = "3e5065f3db9aacbe978e8d8fc9c53604b7937771e713698c86b50aa4e1c89a06"
-    url = "https://github.com/JuliaMolSim/PseudoLibrary/raw/main/artifacts/gbrv_lda_1.5_upf.tar.gz"
-
-["gbrv_pbe_1.5_upf"]
-extension = "upf"
-functional = "pbe"
-version = "1.5"
-git-tree-sha1 = "690afb3fa87f6e555ceca0bb539f72f35abdb3b1"
-lazy = true
-
-    [["gbrv_pbe_1.5_upf".download]]
-    sha256 = "1686ed40afd0a104effe41e8186e919b58640650b331c1bfde4e71eb71e85cb6"
-    url = "https://github.com/JuliaMolSim/PseudoLibrary/raw/main/artifacts/gbrv_pbe_1.5_upf.tar.gz"
-
 ["pd_nc_fr_pbesol_stringent_0.4_psp8"]
 extension = "psp8"
 functional = "pbesol"
@@ -207,28 +119,6 @@ lazy = true
     sha256 = "63b71d31f22b06965c9dd484d406d3deb63ea21b58d7b658727f09d210850d72"
     url = "https://github.com/JuliaMolSim/PseudoLibrary/raw/main/artifacts/pd_nc_sr_pbe_stringent_0.4.1_upf.tar.gz"
 
-[hgh_pbe_upf]
-extension = "upf"
-functional = "pbe"
-version = "0.0"
-git-tree-sha1 = "277efb8616e49b14d24db310e156a47cbf90d15f"
-lazy = true
-
-    [[hgh_pbe_upf.download]]
-    sha256 = "e0cad7a76444b8de32504d6c8c8e2202a0d11e30ee5d691d45d94974943cff4b"
-    url = "https://github.com/JuliaMolSim/PseudoLibrary/raw/main/artifacts/hgh_pbe_upf.tar.gz"
-
-[hgh_lda_hgh]
-extension = "hgh"
-functional = "pbe"
-version = "0.0"
-git-tree-sha1 = "8b15443d40af7e3a84f4e781330e67f307edbf16"
-lazy = true
-
-    [[hgh_lda_hgh.download]]
-    sha256 = "3c674b8bf2cce081fd69fa0ea6c8fadec22fd278ed6f9346c3175295c302b797"
-    url = "https://github.com/JuliaMolSim/PseudoLibrary/raw/main/artifacts/hgh_lda_hgh.tar.gz"
-
 ["pd_nc_sr_pbesol_stringent_0.4.1_psp8"]
 extension = "psp8"
 functional = "pbesol"
@@ -306,17 +196,6 @@ lazy = true
     sha256 = "1edd99303e7965091741be4286d9b6e3e1673fa3e8936a24a7ecd33dccc74985"
     url = "https://github.com/JuliaMolSim/PseudoLibrary/raw/main/artifacts/pd_nc_fr_pbe_standard_0.4_upf.tar.gz"
 
-["sssp_pbe_efficiency_1.1.2_upf"]
-extension = "upf"
-functional = "pbe"
-version = "1.1.2"
-git-tree-sha1 = "3bba70e169df890b9d7273c09efb65a81f4d092f"
-lazy = true
-
-    [["sssp_pbe_efficiency_1.1.2_upf".download]]
-    sha256 = "385347a183a53a38832cc4afce1200a3440e870855256c703a390271c1af8607"
-    url = "https://github.com/JuliaMolSim/PseudoLibrary/raw/main/artifacts/sssp_pbe_efficiency_1.1.2_upf.tar.gz"
-
 ["pd_nc_sr_lda_stringent_0.4.1_psp8"]
 extension = "psp8"
 functional = "lda"
@@ -338,14 +217,3 @@ lazy = true
     [["pd_nc_fr_pbe_stringent_0.4_upf".download]]
     sha256 = "cbef5a89d0b14c11ca161e34decfc11046069590a40cb2fb709fa5abf696bbcd"
     url = "https://github.com/JuliaMolSim/PseudoLibrary/raw/main/artifacts/pd_nc_fr_pbe_stringent_0.4_upf.tar.gz"
-
-[hgh_lda_upf]
-extension = "upf"
-functional = "lda"
-version = "0.0"
-git-tree-sha1 = "2ee02145aae92460f9a1cb51951c19fd577924ef"
-lazy = true
-
-    [[hgh_lda_upf.download]]
-    sha256 = "1e9a17b42453b7430ec00ddecfd7dff7d1d80ed8db4c6e59afccf44979d151c5"
-    url = "https://github.com/JuliaMolSim/PseudoLibrary/raw/main/artifacts/hgh_lda_upf.tar.gz"

Project.toml

@@ -1,7 +1,7 @@
 name = "PseudoPotentialData"
 uuid = "5751a51d-ac76-4487-a056-413ecf6fbe19"
 authors = ["Michael F. Herbst <info@michael-herbst.com> and contributors"]
-version = "0.1.1"
+version = "0.1.2"
 
 [deps]
 Artifacts = "56f22d72-fd6d-98f1-02f0-08ddc0907c33"

src/pseudofamily.jl

@@ -13,7 +13,10 @@ end
 
 """
 Construction of a PseudoFamily from a `identifier` representing
-the pseudopotential family to use.
+the pseudopotential family to use. For a list of valid identifier,
+see [`family_identifiers`](@ref).
+A `PseudoFamily` is an `AbstractDict{Symbol,String} mapping from
+an element symbol to the full path of the pseudopotential file.
 """
 function PseudoFamily(identifier::AbstractString)
     artifact_file = find_artifacts_toml(@__FILE__)

test/runtests.jl

@@ -28,6 +28,13 @@ using Test
         end
     end
 
+    @testset "Family objects have a pseudo for standard elements" begin
+        for identifier in PseudoPotentialData.family_identifiers()
+            family = PseudoFamily(identifier)
+            @test isfile(family[:Si])
+        end
+    end
+
     @testset "Dict interface of PseudoFamily" begin
         identifier = "pd_nc_sr_pbe_stringent_0.4.1_upf"
         family = PseudoFamily(identifier)